Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons

Open Access. Powered by Scholars. Published by Universities.®

South Dakota State University

2018

DFT simulations

Articles 1 - 1 of 1

Full-Text Articles in Physical Sciences and Mathematics

Synthesis, Characterization And Molecular Dynamic Simulations Of Aqueous Choline Chloride Deep Eutectic Solvents, Sampson Asare Jan 2018

Synthesis, Characterization And Molecular Dynamic Simulations Of Aqueous Choline Chloride Deep Eutectic Solvents, Sampson Asare

Electronic Theses and Dissertations

Various forms of deep eutectic solvents have been synthesized with advantages of 100% atom economy, low vapor pressure, ease of preparation, cost efficiency, low toxicity, and tunability. Though several DESs have been synthesized and characterized, including binary and ternary solvents, none of the binary DESs have been formulated with water as the sole hydrogen bond donor(HBD). This is due to a couple of opinions. First, water is disruptive to the eutectic bond in tertiary DES. Secondly, the ubiquity and concentration of water even in natural systems have led to the assertion that a solution rather than a eutectic solvent will …